
 CHEMBL2179460

292297  0  0  0  0  0  0  0  0999 V2000
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M  CHG  8  13   1  22   1  32   1  41   1  51   1  60   1  76   1  85   1
M  CHG  8 101   1 110   1 126  -1 133  -1 140  -1 147  -1 154  -1 161  -1
M  CHG  4 168  -1 175  -1 182  -1 189  -1
M  END

>  <Chemical Name>
CHEMBL2179460

>  <PubChem CID>
71453764

>  <Formula>
C98H98F60N18O8P10

>  <Molecular Weight>
3105.622000

>  <IUPAC Name>


>  <XlogP>
-10000

>  <Hydrogen Bond Donors>
4

>  <Hydrogen Bond Acceptors>
78

>  <Canonical SMILES>
CC1=CN(C(=O)NC1=O)CCC[N+]2=CC=C(C=C2)C3=CC=[N+](C=C3)CC4=CC(=CC(=C4)[N+]5=CC=C(C=C5)C6=CC=[N+](C=C6)C7=CC(=CC(=C7)C[N+]8=CC=C(C=C8)C9=CC=[N+](C=C9)CCCN1C=C(C(=O)NC1=O)C)C[N+]1=CC=C(C=C1)C1=CC=[N+](C=C1)CCCN1C=C(C(=O)NC1=O)C)C[N+]1=CC=C(C=C1)C1=CC=[N+](C=C1)CCCN1C=C(C(=O)NC1=O)C.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F

>  <Isomeric SMILES>
CC1=CN(C(=O)NC1=O)CCC[N+]2=CC=C(C=C2)C3=CC=[N+](C=C3)CC4=CC(=CC(=C4)[N+]5=CC=C(C=C5)C6=CC=[N+](C=C6)C7=CC(=CC(=C7)C[N+]8=CC=C(C=C8)C9=CC=[N+](C=C9)CCCN1C=C(C(=O)NC1=O)C)C[N+]1=CC=C(C=C1)C1=CC=[N+](C=C1)CCCN1C=C(C(=O)NC1=O)C)C[N+]1=CC=C(C=C1)C1=CC=[N+](C=C1)CCCN1C=C(C(=O)NC1=O)C.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F

>  <InChI Std. ID>
InChI=1S/C98H94N18O8.10F6P/c1-71-63-113(95(121)99-91(71)117)33-5-29-103-37-9-79(10-38-103)83-17-45-107(46-18-83)67-75-57-76(68-108-47-19-84(20-48-108)80-11-39-104(40-12-80)30-6-34-114-64-72(2)92(118)100-96(114)122)60-89(59-75)111-53-25-87(26-54-111)88-27-55-112(56-28-88)90-61-77(69-109-49-21-85(22-50-109)81-13-41-105(42-14-81)31-7-35-115-65-73(3)93(119)101-97(115)123)58-78(62-90)70-110-51-23-86(24-52-110)82-15-43-106(44-16-82)32-8-36-116-66-74(4)94(120)102-98(116)124;10*1-7(2,3,4,5)6/h9-28,37-66H,5-8,29-36,67-70H2,1-4H3;;;;;;;;;;/q+6;10*-1/p+4

>  <InChI Key>
VPHWHXLETYQANF-UHFFFAOYSA-R

